N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide

C22H25N7O4S — CID 139512764

IUPACN-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
SMILESCCOc1cncc(-c2ccc(C(=O)NC(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)nc2)n1
InChIInChI=1S/C22H25N7O4S/c1-3-16(17-9-10-24-22(28-17)29-34(31,32)15-6-7-15)27-21(30)18-8-5-14(11-25-18)19-12-23-13-20(26-19)33-4-2/h5,8-13,15-16H,3-4,6-7H2,1-2H3,(H,27,30)(H,24,28,29)
InChIKeyRPUDINJOPPNXHM-UHFFFAOYSA-N
MW483.55 g/mol
LogP2.51
Rot. Bonds10

About N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide

N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide (PubChem CID 139512764) has the molecular formula C22H25N7O4S and a molecular weight of 483.55 g/mol. Its IUPAC name is N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
PubChem CID139512764
Molecular FormulaC22H25N7O4S
Molecular Weight483.55 g/mol
Exact Mass483.17
IUPAC NameN-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
SMILESCCOc1cncc(-c2ccc(C(=O)NC(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)nc2)n1
InChIInChI=1S/C22H25N7O4S/c1-3-16(17-9-10-24-22(28-17)29-34(31,32)15-6-7-15)27-21(30)18-8-5-14(11-25-18)19-12-23-13-20(26-19)33-4-2/h5,8-13,15-16H,3-4,6-7H2,1-2H3,(H,27,30)(H,24,28,29)
InChIKeyRPUDINJOPPNXHM-UHFFFAOYSA-N
XLogP2.51
TPSA148.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide (CID 139512764) is N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide is CCOc1cncc(-c2ccc(C(=O)NC(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)nc2)n1.
What is the InChIKey of N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide?
The InChIKey is RPUDINJOPPNXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O4S/c1-3-16(17-9-10-24-22(28-17)29-34(31,32)15-6-7-15)27-21(30)18-8-5-14(11-25-18)19-12-23-13-20(26-19)33-4-2/h5,8-13,15-16H,3-4,6-7H2,1-2H3,(H,27,30)(H,24,28,29).
What are the key properties of N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide?
N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide has a molecular weight of 483.55 g/mol, XLogP of 2.51, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 139512764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).